Sodium 3-nitrobenzenesulfonate
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-98f9-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=sodium3-nitrobenzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'127-68-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ffe2dfc3b19b40e: {'127-68-4': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['127-68-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[31389, 23708282, 59896753, 86587297, 91886541]; selected_pubchem_cids=[86587297]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,331 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 3-nitrobenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 3,332 | bootstrap_labels | name | sodium 3-nitrobenzenesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 3,333 | bootstrap_labels | synonyms | ["3-Nitrobenzenesulfonic acid sodium salt","3-Nitrobenzenesulfonic acid, sodium salt","AC-11596","AC1L1LIT","Benzenesul… | [] | Removed legacy synonyms field in favor of structured labels |
| 36,472 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 36,473 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 214,451 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,855 | normalize_name_case | prefLabel | [{"@value":"sodium 3-nitrobenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"Sodium 3-nitrobenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,387 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NNaO5S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,388 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,389 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=127-68-4","provenance":{"prov:wasGeneratedBy":"enrich_references… | Added references with provenance; cas_numbers=['127-68-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[31389, 23708282, 59896753, 86587297, 91886541]; selected_pubchem_cids=[86587297]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 249,246 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NNaO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NNaO5S… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-].[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,771 | consensus_match | altLabel | [] | [{"@value":"3-Nitrobenzenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=sodium3-nitrobenzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=127-68-4; added Common Chemistry CAS names as altLabel: 3-Nitrobenzenesulfonic acid sodium salt, <em>m</em>-Nitrobenzenesulfonic acid sodium salt, Benzenesulfonic acid, 3-nitro-, sodium salt, Benzenesulfonic acid, 3-nitro-, sodium salt (1:1), Benzenesulfonic acid, <em>m</em>-nitro-, sodium salt, Fangranyan S, Ludigol, Nacan, Nitrol S, Register liquid, Resist S, Resist salt L, Sodium 3-nitrophenylsulfonate, Sodium <em>m</em>-nitrobenzenesulfonate; object_uuid=fo-8ffe2dfc3b19b40e |
| 271,772 | consensus_match | cas_match_labels | — | {"127-68-4":"exactMatch"} | group_key=sodium3-nitrobenzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'127-68-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ffe2dfc3b19b40e: {'127-68-4': 'exactMatch'} |
| 274,364 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NNaO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NNaO5S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 3-nitrobenzenesulfonate' |
| 280,798 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NNaO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4NNaO5S… | rdkit_post_consensus from 'O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,785 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4NNaO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4NNaO5S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,159 | dedupe_altlabels | altLabel | [{"@value":"3-Nitrobenzenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"3-Nitrobenzenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 299,262 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 395,485 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/3331 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/3332 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/3333 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/36472 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/36473 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/214451 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/221855 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/230387 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/230388 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/230389 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/249246 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/271771 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/271772 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/274364 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/280798 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/286785 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/292159 | altLabel | ef:agent/dedupe_altlabels | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/299262 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/395485 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-98f9-0050c2490048/v19 |